#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hfg s VAL 2 N 0.00 4.38 -0.09 3.84 1.01 -1.26 -3.97 120.40 124.30 2hfg s VAL 2 Ca 0.00 1.68 -0.06 0.00 0.00 0.00 0.00 61.98 63.59 2hfg s VAL 2 Cb 0.00 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.30 2hfg s VAL 2 CO 0.00 0.49 0.23 -1.10 0.00 0.00 0.00 175.10 174.72 2hfg s GLN 3 N -1.23 0.23 -0.25 2.72 -1.52 -0.92 -5.00 119.66 113.69 2hfg s GLN 3 Ca 0.36 0.41 0.02 0.00 -1.95 0.00 0.00 55.36 54.20 2hfg s GLN 3 Cb -0.23 0.01 0.05 0.00 -0.22 0.00 0.00 33.01 32.62 2hfg s GLN 3 CO 0.26 -0.09 -0.12 -0.51 -0.25 0.00 0.00 175.29 174.58 2hfg s LEU 4 N 0.65 3.26 -0.36 2.90 1.43 -1.26 -0.79 118.68 124.51 2hfg s LEU 4 Ca -0.04 -1.25 -0.11 0.00 -1.03 0.00 0.00 54.13 51.70 2hfg s LEU 4 Cb -0.06 -1.55 0.02 0.00 0.03 0.00 0.00 46.19 44.63 2hfg s LEU 4 CO -0.04 -0.16 0.20 -0.69 0.23 0.00 0.00 176.35 175.89 2hfg s VAL 5 N 1.15 4.63 0.49 -1.59 1.01 0.20 -3.92 120.40 122.36 2hfg s VAL 5 Ca -0.06 -0.72 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 2hfg s VAL 5 Cb -0.19 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 2hfg s VAL 5 CO -0.06 -0.16 0.84 -1.61 0.00 0.00 0.00 175.10 174.12 2hfg s GLU 6 N 1.58 3.66 0.19 2.72 2.02 -1.26 -0.21 118.70 127.40 2hfg s GLU 6 Ca 0.03 0.45 -0.23 0.00 0.02 0.00 0.00 54.97 55.23 2hfg s GLU 6 Cb -0.19 -2.31 0.05 0.00 0.10 0.00 0.00 34.13 31.79 2hfg s GLU 6 CO 0.07 -0.23 0.73 -1.54 0.02 0.00 0.00 175.26 174.31 2hfg s SER 7 N -3.75 -0.36 0.00 -0.19 1.04 -0.53 -4.95 113.70 104.96 2hfg s SER 7 Ca 0.51 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.62 2hfg s SER 7 Cb -0.10 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2hfg s SER 7 CO 0.41 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2hfg n GLY 8 N -0.41 0.84 3.44 7.32 0.00 -1.26 -0.35 105.19 114.77 2hfg n GLY 8 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 2hfg n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hfg s GLY 9 N -1.60 1.49 0.00 -0.02 0.00 -1.26 -4.56 107.32 101.37 2hfg s GLY 9 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.95 2hfg s GLY 9 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.86 2hfg n GLY 10 N 0.39 0.18 3.67 0.20 0.00 -0.61 -5.02 105.19 104.00 2hfg n GLY 10 Ca 0.11 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.50 2hfg n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hfg s LEU 11 N 0.00 3.50 0.08 0.99 2.96 -1.26 -1.10 118.68 123.86 2hfg s LEU 11 Ca 0.00 0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.89 2hfg s LEU 11 Cb 0.00 -1.84 0.01 0.00 0.50 0.00 0.00 46.19 44.86 2hfg s LEU 11 CO 0.00 0.36 0.24 0.68 -1.32 0.00 0.00 176.35 176.31 2hfg s VAL 12 N -0.91 0.12 0.28 1.68 -7.23 -0.59 -4.96 120.40 108.79 2hfg s VAL 12 Ca 0.14 -0.95 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 2hfg s VAL 12 Cb -0.11 -1.17 -0.10 0.00 0.56 0.00 0.00 36.38 35.56 2hfg s VAL 12 CO 0.04 -0.52 1.19 -1.10 -0.31 0.00 0.00 175.10 174.39 2hfg s GLN 13 N -3.42 4.52 0.23 4.82 -1.52 -1.26 -0.84 119.66 122.20 2hfg s GLN 13 Ca 0.01 1.96 -0.31 0.00 -1.95 0.00 0.00 55.36 55.07 2hfg s GLN 13 Cb 0.02 -3.16 -0.15 0.00 -0.22 0.00 0.00 33.01 29.51 2hfg s GLN 13 CO -0.09 0.03 1.12 -2.30 -0.25 0.00 0.00 175.29 173.81 2hfg n PRO 14 N 1.25 1.32 0.00 2.91 -0.02 -1.26 0.20 135.00 139.39 2hfg n PRO 14 Ca 0.00 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2hfg n PRO 14 Cb 0.44 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.99 2hfg n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hfg n GLY 15 N 1.72 3.17 3.70 -1.23 0.00 0.01 -4.91 105.19 107.65 2hfg n GLY 15 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2hfg n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hfg s GLY 16 N -1.69 1.66 0.17 -0.02 0.00 0.13 -3.44 107.32 104.13 2hfg s GLY 16 Ca 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 44.72 43.69 2hfg s GLY 16 CO 0.00 -0.21 -0.11 -0.56 0.00 0.00 0.00 173.10 172.21 2hfg s SER 17 N -4.27 2.09 -0.15 1.64 0.01 -1.26 -2.53 113.70 109.23 2hfg s SER 17 Ca 0.73 -1.02 -0.29 0.00 1.31 0.00 0.00 55.95 56.67 2hfg s SER 17 Cb -0.07 -0.06 0.08 0.00 0.21 0.00 0.00 66.02 66.19 2hfg s SER 17 CO 0.55 -0.28 0.76 -0.22 0.41 0.00 0.00 173.24 174.46 2hfg s LEU 18 N -3.23 -0.63 -0.22 2.44 2.96 -0.22 -5.00 118.68 114.78 2hfg s LEU 18 Ca 0.19 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 55.01 2hfg s LEU 18 Cb 0.01 2.37 0.03 0.00 0.50 0.00 0.00 46.19 49.11 2hfg s LEU 18 CO 0.03 -0.43 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.90 2hfg s ARG 19 N -0.60 2.83 0.18 1.98 3.52 -1.26 -0.66 118.95 124.94 2hfg s ARG 19 Ca -0.05 -0.96 -0.14 0.00 -0.13 0.00 0.00 55.73 54.45 2hfg s ARG 19 Cb -0.02 -2.79 -0.07 0.00 -1.56 0.00 0.00 34.95 30.50 2hfg s ARG 19 CO 0.05 -0.34 0.57 -0.51 -0.81 0.00 0.00 175.30 174.26 2hfg s LEU 20 N 1.28 4.29 0.18 -0.88 1.43 -0.33 -4.49 118.68 120.16 2hfg s LEU 20 Ca 0.01 1.09 0.11 0.00 -1.03 0.00 0.00 54.13 54.30 2hfg s LEU 20 Cb -0.16 -3.41 -0.04 0.00 0.03 0.00 0.00 46.19 42.61 2hfg s LEU 20 CO -0.08 0.05 -0.23 -0.44 0.23 0.00 0.00 176.35 175.88 2hfg s SER 21 N -1.86 3.20 -0.36 2.29 0.01 0.52 -1.26 113.70 116.25 2hfg s SER 21 Ca 0.41 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.83 2hfg s SER 21 Cb -0.14 -0.22 0.15 0.00 0.21 0.00 0.00 66.02 66.01 2hfg s SER 21 CO 0.20 0.08 0.28 0.00 0.41 0.00 0.00 173.24 174.21 2hfg s ALA 23 N 1.18 3.37 0.07 0.00 0.00 0.70 -1.61 121.76 125.48 2hfg s ALA 23 Ca 0.18 0.07 0.06 0.00 0.00 0.00 0.00 51.96 52.27 2hfg s ALA 23 Cb -0.19 -2.88 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2hfg s ALA 23 CO -0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 175.76 175.62 2hfg s ALA 24 N 0.67 3.04 0.06 0.00 0.00 -0.78 0.59 121.76 125.33 2hfg s ALA 24 Ca 0.35 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.17 2hfg s ALA 24 Cb -0.17 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 21.90 2hfg s ALA 24 CO 0.17 0.65 -0.08 -1.12 0.00 0.00 0.00 175.76 175.38 2hfg s SER 25 N -2.01 1.00 0.00 0.00 0.01 0.03 -4.86 113.70 107.87 2hfg s SER 25 Ca 0.21 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2hfg s SER 25 Cb -0.11 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.17 2hfg s SER 25 CO 0.13 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.10 2hfg n GLY 26 N 0.92 2.58 3.48 3.44 0.00 -1.26 -2.17 105.19 112.18 2hfg n GLY 26 Ca -0.19 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 2hfg n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2hfg s PHE 27 N -2.60 0.20 -0.19 1.61 -0.71 -1.26 -4.76 117.98 110.27 2hfg s PHE 27 Ca 0.00 -0.56 -0.14 0.00 -1.04 0.00 0.00 56.93 55.19 2hfg s PHE 27 Cb 0.00 0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.94 2hfg s PHE 27 CO 0.00 -0.87 0.31 -0.08 -1.34 0.00 0.00 175.22 173.24 2hfg s THR 28 N -3.95 5.28 -0.30 -4.49 -1.32 -1.26 -4.98 115.64 104.62 2hfg s THR 28 Ca 0.16 0.54 0.27 0.00 -1.21 0.00 0.00 61.69 61.45 2hfg s THR 28 Cb 0.01 -3.64 0.35 0.00 -1.51 0.00 0.00 72.50 67.70 2hfg s THR 28 CO 0.02 0.33 1.75 0.16 -2.21 0.00 0.00 174.62 174.66 2hfg h ILE 29 N 4.87 0.00 -0.74 5.08 3.07 -1.90 -3.28 117.51 124.62 2hfg h ILE 29 Ca -0.39 -0.76 -0.01 0.00 1.55 0.00 0.00 64.86 65.25 2hfg h ILE 29 Cb 1.16 1.75 -0.04 0.00 -0.27 0.00 0.00 36.82 39.43 2hfg h ILE 29 CO 0.73 0.00 0.40 0.77 -1.05 0.00 0.00 178.15 179.00 2hfg h SER 30 N 0.00 0.91 0.27 2.16 4.64 -1.91 -2.37 113.55 117.25 2hfg h SER 30 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2hfg h SER 30 Cb 0.79 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 2hfg h SER 30 CO 0.00 0.73 -0.11 -1.54 -0.87 0.00 0.00 176.83 175.04 2hfg n SER 31 N -4.36 0.63 -4.37 4.97 3.41 -1.23 -1.73 113.62 110.93 2hfg n SER 31 Ca 0.07 -0.75 -0.21 0.00 -0.26 0.00 0.00 58.87 57.73 2hfg n SER 31 Cb 0.10 -0.03 -0.10 0.00 -0.26 0.00 0.00 64.21 63.91 2hfg n SER 31 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2hfg s SER 32 N -2.39 2.85 -0.06 4.04 0.01 -0.89 -5.06 113.70 112.20 2hfg s SER 32 Ca 0.31 -0.99 -0.19 0.00 1.31 0.00 0.00 55.95 56.39 2hfg s SER 32 Cb 0.20 -0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2hfg s SER 32 CO 0.46 -0.09 0.52 -0.94 0.41 0.00 0.00 173.24 173.60 2hfg s SER 33 N -3.22 6.82 -0.12 2.44 1.04 -1.26 -4.12 113.70 115.28 2hfg s SER 33 Ca 0.23 0.97 -0.04 0.00 0.48 0.00 0.00 55.95 57.59 2hfg s SER 33 Cb -0.03 -2.31 -0.04 0.00 0.10 0.00 0.00 66.02 63.74 2hfg s SER 33 CO 0.09 0.08 0.03 -0.63 0.98 0.00 0.00 173.24 173.79 2hfg s ILE 34 N 0.10 4.55 0.02 -1.02 -1.09 -0.40 -1.98 121.20 121.38 2hfg s ILE 34 Ca 0.28 -0.15 0.06 0.00 -2.23 0.00 0.00 60.65 58.61 2hfg s ILE 34 Cb -0.17 -2.96 -0.02 0.00 -1.58 0.00 0.00 42.46 37.74 2hfg s ILE 34 CO 0.13 0.57 -0.18 -1.00 -1.23 0.00 0.00 174.94 173.24 2hfg s HIS 35 N -0.55 1.57 -0.13 3.97 3.76 0.12 -1.43 115.29 122.59 2hfg s HIS 35 Ca 0.10 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.65 2hfg s HIS 35 Cb -0.12 -0.97 -0.03 0.00 1.11 0.00 0.00 32.58 32.58 2hfg s HIS 35 CO 0.02 0.03 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.33 2hfg s TRP 36 N -0.63 3.06 0.08 1.40 0.52 -0.30 -0.20 118.94 122.88 2hfg s TRP 36 Ca 0.06 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.10 2hfg s TRP 36 Cb -0.08 -1.90 -0.03 0.00 -1.15 0.00 0.00 33.47 30.31 2hfg s TRP 36 CO 0.01 0.13 -0.14 0.08 0.02 0.00 0.00 176.95 177.05 2hfg s VAL 37 N -0.03 1.14 0.03 4.03 1.01 0.07 -1.01 120.40 125.63 2hfg s VAL 37 Ca 0.02 -1.42 -0.07 0.00 0.00 0.00 0.00 61.98 60.51 2hfg s VAL 37 Cb -0.13 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2hfg s VAL 37 CO 0.02 -0.29 0.12 0.00 0.00 0.00 0.00 175.10 174.95 2hfg s ARG 38 N -2.02 0.58 -0.22 2.72 1.70 0.10 0.21 118.95 122.02 2hfg s ARG 38 Ca 0.01 -0.64 -0.01 0.00 -0.47 0.00 0.00 55.73 54.62 2hfg s ARG 38 Cb -0.08 0.23 0.06 0.00 -0.57 0.00 0.00 34.95 34.59 2hfg s ARG 38 CO 0.02 -0.15 -0.02 -1.14 -1.08 0.00 0.00 175.30 172.94 2hfg s GLN 39 N -2.29 1.25 0.58 3.89 0.74 0.08 -1.24 119.66 122.67 2hfg s GLN 39 Ca -0.08 -0.79 -0.17 0.00 0.05 0.00 0.00 55.36 54.38 2hfg s GLN 39 Cb -0.03 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 2hfg s GLN 39 CO -0.03 -0.62 1.07 0.00 -0.55 0.00 0.00 175.29 175.16 2hfg s ALA 40 N 1.57 2.70 0.13 1.58 0.00 -1.26 -1.80 121.76 124.68 2hfg s ALA 40 Ca -0.04 0.52 -0.32 0.00 0.00 0.00 0.00 51.96 52.12 2hfg s ALA 40 Cb -0.18 -3.27 -0.12 0.00 0.00 0.00 0.00 23.12 19.55 2hfg s ALA 40 CO -0.07 -0.81 1.75 -2.30 0.00 0.00 0.00 175.76 174.33 2hfg n PRO 41 N -1.82 2.58 -3.57 0.00 -0.02 -1.26 -2.01 135.00 128.90 2hfg n PRO 41 Ca 0.10 0.94 -0.22 0.00 -2.02 0.00 0.00 63.50 62.29 2hfg n PRO 41 Cb 0.52 -2.79 0.08 0.00 -0.02 0.00 0.00 33.50 31.29 2hfg n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hfg n GLY 42 N 3.99 -0.46 3.21 -1.23 0.00 -1.26 -5.02 105.19 104.42 2hfg n GLY 42 Ca 0.18 0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 2hfg n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfg s LYS 43 N -5.97 0.87 1.05 1.61 1.02 -0.85 -5.17 119.74 112.30 2hfg s LYS 43 Ca 0.34 -1.09 -0.12 0.00 0.02 0.00 0.00 55.97 55.12 2hfg s LYS 43 Cb -0.15 0.32 0.22 0.00 -0.52 0.00 0.00 37.83 37.69 2hfg s LYS 43 CO 0.74 -0.27 1.07 0.20 -0.92 0.00 0.00 175.35 176.17 2hfg s GLY 44 N -2.91 1.57 0.28 -3.33 0.00 -1.26 -4.58 107.32 97.10 2hfg s GLY 44 Ca 0.09 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.37 2hfg s GLY 44 CO -0.08 0.47 1.41 1.08 0.00 0.00 0.00 173.10 175.99 2hfg s LEU 45 N -6.74 4.39 -0.19 0.66 1.43 -1.26 -4.51 118.68 112.46 2hfg s LEU 45 Ca 0.66 2.72 -0.01 0.00 -1.03 0.00 0.00 54.13 56.48 2hfg s LEU 45 Cb -0.21 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.42 2hfg s LEU 45 CO 0.60 -0.68 -0.03 -0.70 0.23 0.00 0.00 176.35 175.77 2hfg s GLU 46 N -0.92 1.29 0.19 1.70 2.12 -0.37 -4.98 118.70 117.72 2hfg s GLU 46 Ca 0.56 -0.59 -0.30 0.00 0.36 0.00 0.00 54.97 54.99 2hfg s GLU 46 Cb -0.42 -2.14 -0.09 0.00 0.26 0.00 0.00 34.13 31.74 2hfg s GLU 46 CO 0.48 -0.51 1.34 -0.46 -0.54 0.00 0.00 175.26 175.57 2hfg s TRP 47 N 1.63 3.22 -0.07 5.30 -0.00 -1.26 -0.72 118.94 127.05 2hfg s TRP 47 Ca -0.01 1.14 0.00 0.00 -0.00 0.00 0.00 56.10 57.23 2hfg s TRP 47 Cb -0.16 -3.65 -0.04 0.00 -0.00 0.00 0.00 33.47 29.61 2hfg s TRP 47 CO -0.07 -2.09 -0.07 1.33 -0.00 0.00 0.00 176.95 176.05 2hfg n VAL 48 N 2.87 0.40 -3.44 5.86 0.24 -0.18 -4.62 118.33 119.45 2hfg n VAL 48 Ca 0.07 -0.15 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 2hfg n VAL 48 Cb 0.42 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 31.93 2hfg n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hfg s ALA 49 N -2.14 -1.64 0.06 2.33 0.00 -1.18 -0.48 121.76 118.71 2hfg s ALA 49 Ca -0.10 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2hfg s ALA 49 Cb 0.03 0.79 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2hfg s ALA 49 CO 0.16 -0.76 -0.04 1.67 0.00 0.00 0.00 175.76 176.79 2hfg s TRP 50 N -3.62 0.63 -0.02 0.00 1.48 -0.73 -1.15 118.94 115.53 2hfg s TRP 50 Ca 0.02 -0.95 0.02 0.00 -1.06 0.00 0.00 56.10 54.13 2hfg s TRP 50 Cb -0.01 -0.42 0.00 0.00 -1.16 0.00 0.00 33.47 31.89 2hfg s TRP 50 CO -0.12 -0.28 -0.05 0.54 -4.06 0.00 0.00 176.95 172.98 2hfg s VAL 51 N -3.51 0.48 -0.52 -0.66 0.11 -0.51 -1.92 120.40 113.86 2hfg s VAL 51 Ca 0.06 -0.20 -0.14 0.00 -2.93 0.00 0.00 61.98 58.77 2hfg s VAL 51 Cb 0.05 -0.44 0.13 0.00 -1.53 0.00 0.00 36.38 34.59 2hfg s VAL 51 CO -0.07 0.16 0.45 -0.22 -3.33 0.00 0.00 175.10 172.09 2hfg s LEU 52 N 0.20 6.04 0.46 2.54 0.20 0.12 -1.27 118.68 126.96 2hfg s LEU 52 Ca -0.02 -1.85 0.19 0.00 0.69 0.00 0.00 54.13 53.13 2hfg s LEU 52 Cb -0.06 -2.14 1.11 0.00 -0.43 0.00 0.00 46.19 44.66 2hfg s LEU 52 CO -0.00 -0.80 1.99 -0.65 -0.29 0.00 0.00 176.35 176.60 2hfg h PRO 52 N 8.72 0.00 -0.91 0.98 0.11 -1.72 -0.40 132.00 138.79 2hfg h PRO 52 Ca -0.26 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.04 2hfg h PRO 52 Cb 1.09 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.09 2hfg h PRO 52 CO 0.98 0.19 0.47 0.66 -0.21 0.00 0.00 178.00 180.09 2hfg h SER 53 N 0.00 0.51 0.00 -2.05 4.64 -1.60 -3.02 113.55 112.03 2hfg h SER 53 Ca -0.00 0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 2hfg h SER 53 Cb 0.39 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2hfg h SER 53 CO 0.03 0.13 -1.03 1.33 -0.87 0.00 0.00 176.83 176.41 2hfg n VAL 54 N -4.93 0.00 -0.55 0.95 0.24 -1.17 -5.03 118.33 107.84 2hfg n VAL 54 Ca 0.21 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2hfg n VAL 54 Cb 0.58 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 2hfg n VAL 54 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2hfg n GLY 55 N 1.95 0.69 3.76 7.63 0.00 -0.17 -5.07 105.19 113.99 2hfg n GLY 55 Ca -0.01 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2hfg n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hfg s PHE 56 N -2.00 2.33 0.17 1.61 0.40 -1.15 -4.82 117.98 114.52 2hfg s PHE 56 Ca 0.00 1.30 -0.02 0.00 -0.60 0.00 0.00 56.93 57.62 2hfg s PHE 56 Cb 0.00 -3.89 -0.04 0.00 0.51 0.00 0.00 43.02 39.60 2hfg s PHE 56 CO 0.00 -3.02 0.12 0.95 0.70 0.00 0.00 175.22 173.97 2hfg s THR 57 N -1.24 0.05 -0.07 0.64 -4.23 -1.26 -0.71 115.64 108.82 2hfg s THR 57 Ca 0.67 -1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 59.00 2hfg s THR 57 Cb -0.43 -2.28 0.06 0.00 1.34 0.00 0.00 72.50 71.19 2hfg s THR 57 CO 0.53 -0.20 0.58 -0.62 -0.54 0.00 0.00 174.62 174.36 2hfg s ASP 58 N -3.10 -0.54 0.03 3.99 2.15 -0.81 -4.98 116.67 113.41 2hfg s ASP 58 Ca 0.31 0.63 0.03 0.00 0.43 0.00 0.00 52.55 53.96 2hfg s ASP 58 Cb 0.07 0.58 -0.02 0.00 -0.30 0.00 0.00 42.92 43.25 2hfg s ASP 58 CO 0.07 -0.52 -0.09 -0.31 -0.17 0.00 0.00 175.17 174.15 2hfg s TYR 59 N -1.02 0.82 0.36 -5.34 2.02 -1.26 -1.77 117.35 111.16 2hfg s TYR 59 Ca -0.10 -0.36 -0.27 0.00 -0.37 0.00 0.00 57.07 55.97 2hfg s TYR 59 Cb -0.02 -0.49 -0.09 0.00 -0.40 0.00 0.00 41.96 40.96 2hfg s TYR 59 CO 0.07 -0.02 1.18 0.00 -1.57 0.00 0.00 175.55 175.21 2hfg s ALA 60 N -0.94 3.27 0.47 3.71 0.00 0.37 -4.89 121.76 123.75 2hfg s ALA 60 Ca -0.04 1.01 0.26 0.00 0.00 0.00 0.00 51.96 53.19 2hfg s ALA 60 Cb -0.08 -3.39 1.30 0.00 0.00 0.00 0.00 23.12 20.96 2hfg s ALA 60 CO 0.01 -0.47 1.81 -0.44 0.00 0.00 0.00 175.76 176.67 2hfg h ASP 61 N 3.03 0.23 0.52 0.00 3.32 -1.95 -1.24 116.42 120.33 2hfg h ASP 61 Ca -0.48 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2hfg h ASP 61 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.78 2hfg h ASP 61 CO 0.64 0.05 0.00 0.77 -1.72 0.00 0.00 179.24 178.98 2hfg h SER 62 N 0.21 0.00 0.00 6.45 4.64 -1.96 -3.15 113.55 119.73 2hfg h SER 62 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 2hfg h SER 62 Cb 1.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.81 2hfg h SER 62 CO -0.14 0.00 0.00 0.52 -0.87 0.00 0.00 176.83 176.34 2hfg n VAL 63 N -2.74 0.00 -2.25 0.95 0.31 -0.55 -5.04 118.33 109.01 2hfg n VAL 63 Ca -0.00 -0.32 -0.42 0.00 -0.01 0.00 0.00 64.34 63.58 2hfg n VAL 63 Cb 0.18 1.03 -0.03 0.00 -0.91 0.00 0.00 33.84 34.11 2hfg n VAL 63 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2hfg s LYS 64 N -0.59 4.32 0.00 5.55 2.20 -0.72 -2.09 119.74 128.41 2hfg s LYS 64 Ca 0.00 1.96 0.00 0.00 -0.36 0.00 0.00 55.97 57.57 2hfg s LYS 64 Cb 0.00 -3.42 0.00 0.00 -1.51 0.00 0.00 37.83 32.90 2hfg s LYS 64 CO 0.00 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 174.93 2hfg n GLY 65 N 3.51 0.39 0.01 5.54 0.00 -1.26 -4.88 105.19 108.50 2hfg n GLY 65 Ca 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 2hfg n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hfg n ARG 66 N -2.00 1.32 -4.03 1.61 1.74 -0.89 -5.06 116.66 109.36 2hfg n ARG 66 Ca 0.00 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 2hfg n ARG 66 Cb 0.00 -1.03 -0.05 0.00 -1.02 0.00 0.00 32.46 30.36 2hfg n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2hfg s PHE 67 N -2.03 3.26 -0.14 -1.55 0.40 -0.97 -1.45 117.98 115.50 2hfg s PHE 67 Ca -0.01 0.08 -0.02 0.00 -0.60 0.00 0.00 56.93 56.38 2hfg s PHE 67 Cb 0.00 -1.62 0.04 0.00 0.51 0.00 0.00 43.02 41.96 2hfg s PHE 67 CO 0.04 0.53 0.00 0.99 0.70 0.00 0.00 175.22 177.48 2hfg s THR 68 N -1.55 0.59 0.07 0.64 2.01 0.10 -4.89 115.64 112.61 2hfg s THR 68 Ca 0.31 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.89 2hfg s THR 68 Cb -0.12 -0.90 -0.06 0.00 0.01 0.00 0.00 72.50 71.44 2hfg s THR 68 CO 0.24 0.04 0.40 -0.51 -0.69 0.00 0.00 174.62 174.10 2hfg s ILE 69 N 1.85 5.08 0.26 1.82 2.07 -1.26 -1.08 121.20 129.95 2hfg s ILE 69 Ca 0.02 0.51 -0.21 0.00 -1.41 0.00 0.00 60.65 59.55 2hfg s ILE 69 Cb -0.15 -3.65 0.03 0.00 0.13 0.00 0.00 42.46 38.81 2hfg s ILE 69 CO -0.07 0.32 0.75 -0.94 -1.91 0.00 0.00 174.94 173.09 2hfg s SER 70 N -1.67 -0.25 0.04 4.50 1.04 -1.04 -5.00 113.70 111.32 2hfg s SER 70 Ca 0.32 -0.59 -0.10 0.00 0.48 0.00 0.00 55.95 56.07 2hfg s SER 70 Cb -0.14 0.70 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2hfg s SER 70 CO 0.17 -1.29 0.20 0.00 0.98 0.00 0.00 173.24 173.30 2hfg s ALA 71 N -3.84 -0.37 -0.29 5.32 0.00 -1.26 -0.00 121.76 121.32 2hfg s ALA 71 Ca 0.11 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.83 2hfg s ALA 71 Cb -0.05 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.42 2hfg s ALA 71 CO 0.06 -0.36 -0.02 0.34 0.00 0.00 0.00 175.76 175.79 2hfg s ASP 72 N -2.07 4.38 0.31 0.00 -1.08 -0.34 -5.00 116.67 112.88 2hfg s ASP 72 Ca -0.05 -1.65 -0.00 0.00 -0.52 0.00 0.00 52.55 50.33 2hfg s ASP 72 Cb -0.01 -1.42 0.50 0.00 -1.46 0.00 0.00 42.92 40.53 2hfg s ASP 72 CO -0.04 -0.29 1.93 0.71 0.52 0.00 0.00 175.17 178.01 2hfg h THR 73 N 6.66 1.20 0.00 1.71 1.35 -1.91 -0.84 112.91 121.09 2hfg h THR 73 Ca -0.13 -0.50 -0.10 0.00 -0.55 0.00 0.00 66.41 65.13 2hfg h THR 73 Cb 1.04 0.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 2hfg h THR 73 CO 0.47 0.22 -0.48 0.77 -0.25 0.00 0.00 175.52 176.26 2hfg h SER 74 N 0.90 0.00 0.05 5.36 4.64 -1.95 -2.19 113.55 120.35 2hfg h SER 74 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2hfg h SER 74 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2hfg h SER 74 CO -0.04 0.48 -0.09 0.29 -0.87 0.00 0.00 176.83 176.60 2hfg n LYS 75 N -3.74 1.51 -3.36 4.77 5.02 -0.87 -4.96 118.16 116.54 2hfg n LYS 75 Ca -0.01 -0.95 -0.23 0.00 -2.02 0.00 0.00 58.31 55.10 2hfg n LYS 75 Cb 0.53 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 2hfg n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hfg n ASN 76 N 0.09 -3.64 -4.14 4.39 5.15 -0.37 -4.77 115.26 111.96 2hfg n ASN 76 Ca 0.16 -0.39 -0.22 0.00 -0.60 0.00 0.00 54.58 53.54 2hfg n ASN 76 Cb 0.39 -3.02 -0.14 0.00 -0.53 0.00 0.00 39.78 36.47 2hfg n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hfg s THR 77 N -2.92 1.19 0.19 -0.44 2.01 -1.16 -1.87 115.64 112.65 2hfg s THR 77 Ca 0.40 -0.83 0.08 0.00 0.31 0.00 0.00 61.69 61.65 2hfg s THR 77 Cb -0.21 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2hfg s THR 77 CO 0.49 0.19 -0.05 0.00 -0.69 0.00 0.00 174.62 174.56 2hfg s ALA 78 N -0.59 3.07 0.14 7.40 0.00 -0.63 -1.19 121.76 129.96 2hfg s ALA 78 Ca 0.04 -1.45 0.07 0.00 0.00 0.00 0.00 51.96 50.62 2hfg s ALA 78 Cb -0.07 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.17 2hfg s ALA 78 CO 0.00 0.45 -0.16 0.71 0.00 0.00 0.00 175.76 176.77 2hfg s TYR 79 N -1.78 1.58 -0.29 0.00 2.02 1.00 -0.94 117.35 118.93 2hfg s TYR 79 Ca 0.27 -0.53 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2hfg s TYR 79 Cb -0.09 -0.80 0.09 0.00 -0.40 0.00 0.00 41.96 40.76 2hfg s TYR 79 CO 0.17 0.23 0.08 -1.17 -1.57 0.00 0.00 175.55 173.29 2hfg s LEU 80 N -2.62 2.19 -0.25 -1.29 2.96 -0.39 -2.51 118.68 116.78 2hfg s LEU 80 Ca 0.13 -1.53 -0.29 0.00 -0.22 0.00 0.00 54.13 52.22 2hfg s LEU 80 Cb -0.05 -0.87 0.01 0.00 0.50 0.00 0.00 46.19 45.79 2hfg s LEU 80 CO 0.05 -0.39 1.04 -1.58 -1.32 0.00 0.00 176.35 174.14 2hfg s GLN 81 N 1.62 4.22 -0.20 1.98 2.00 -0.24 -1.19 119.66 127.85 2hfg s GLN 81 Ca 0.08 1.29 -0.02 0.00 -2.00 0.00 0.00 55.36 54.70 2hfg s GLN 81 Cb -0.17 -3.66 -0.00 0.00 0.80 0.00 0.00 33.01 29.98 2hfg s GLN 81 CO -0.22 -0.67 -0.09 -1.64 -0.50 0.00 0.00 175.29 172.17 2hfg s MET 82 N 3.26 3.28 0.39 1.67 -1.94 0.17 0.00 119.30 126.14 2hfg s MET 82 Ca 0.44 -0.68 0.08 0.00 -1.71 0.00 0.00 55.69 53.81 2hfg s MET 82 Cb -0.15 -2.86 -0.06 0.00 2.01 0.00 0.00 34.83 33.78 2hfg s MET 82 CO 0.08 -0.15 0.10 -0.80 -0.01 0.00 0.00 175.02 174.23 2hfg s ASN 82 N 1.30 4.24 -1.54 3.03 0.02 -0.53 -1.06 114.94 120.40 2hfg s ASN 82 Ca 0.04 -1.12 -0.11 0.00 -1.02 0.00 0.00 52.86 50.65 2hfg s ASN 82 Cb -0.14 -0.48 0.08 0.00 0.02 0.00 0.00 41.25 40.73 2hfg s ASN 82 CO -0.05 -0.44 0.73 -1.20 0.02 0.00 0.00 177.10 176.16 2hfg n SER 82 N -1.10 -2.67 -4.75 -1.22 7.64 -1.12 -4.69 113.62 105.70 2hfg n SER 82 Ca -0.03 -0.93 -0.38 0.00 1.01 0.00 0.00 58.87 58.54 2hfg n SER 82 Cb 0.65 -3.24 0.04 0.00 -1.01 0.00 0.00 64.21 60.64 2hfg n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2hfg s LEU 82 N -7.14 3.81 0.18 -3.43 1.43 -1.05 -4.58 118.68 107.89 2hfg s LEU 82 Ca 0.45 2.63 0.05 0.00 -1.03 0.00 0.00 54.13 56.23 2hfg s LEU 82 Cb -0.24 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.57 2hfg s LEU 82 CO 0.88 -1.55 -0.10 -0.13 0.23 0.00 0.00 176.35 175.69 2hfg s ARG 83 N -3.01 1.18 0.28 1.70 0.52 -1.26 -0.81 118.95 117.55 2hfg s ARG 83 Ca 0.73 -1.52 -0.00 0.00 -0.52 0.00 0.00 55.73 54.41 2hfg s ARG 83 Cb -0.37 -0.75 0.65 0.00 0.52 0.00 0.00 34.95 35.00 2hfg s ARG 83 CO 0.43 0.08 1.62 0.00 0.02 0.00 0.00 175.30 177.45 2hfg h ALA 84 N 2.67 1.13 0.00 2.13 0.00 -1.97 0.37 119.26 123.59 2hfg h ALA 84 Ca -0.37 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2hfg h ALA 84 Cb 1.20 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2hfg h ALA 84 CO 0.63 -0.49 0.00 -0.85 0.00 0.00 0.00 179.25 178.55 2hfg n GLU 85 N -5.32 0.09 0.00 0.00 0.28 -1.26 -0.92 120.64 113.51 2hfg n GLU 85 Ca 0.20 0.47 0.13 0.00 -0.16 0.00 0.00 57.16 57.80 2hfg n GLU 85 Cb 0.65 -1.73 0.50 0.00 1.43 0.00 0.00 31.44 32.29 2hfg n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2hfg n ASP 86 N -1.91 0.17 -4.61 -1.84 8.00 0.13 -4.86 116.55 111.64 2hfg n ASP 86 Ca 0.01 0.26 -0.47 0.00 0.71 0.00 0.00 54.79 55.30 2hfg n ASP 86 Cb 0.10 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 2hfg n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2hfg n THR 87 N -1.51 0.45 -3.73 -3.53 -1.04 -0.10 -4.89 114.28 99.93 2hfg n THR 87 Ca 0.06 -0.24 -0.02 0.00 -2.04 0.00 0.00 64.05 61.81 2hfg n THR 87 Cb 0.34 -2.05 -0.01 0.00 -1.82 0.00 0.00 70.33 66.79 2hfg n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2hfg s ALA 88 N 5.99 -1.78 -0.18 2.41 0.00 -0.41 -4.37 121.76 123.43 2hfg s ALA 88 Ca 0.98 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 2hfg s ALA 88 Cb -0.61 0.59 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 2hfg s ALA 88 CO 0.46 -1.05 0.69 0.08 0.00 0.00 0.00 175.76 175.94 2hfg s VAL 89 N -3.08 4.99 -0.27 0.00 1.01 -0.74 -0.57 120.40 121.74 2hfg s VAL 89 Ca 0.13 1.32 -0.08 0.00 0.00 0.00 0.00 61.98 63.35 2hfg s VAL 89 Cb -0.00 -4.00 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2hfg s VAL 89 CO 0.01 0.11 0.10 -0.31 0.00 0.00 0.00 175.10 175.00 2hfg s TYR 90 N 1.85 3.12 0.04 5.22 1.51 -0.21 -0.74 117.35 128.14 2hfg s TYR 90 Ca 0.32 -0.51 0.01 0.00 -1.01 0.00 0.00 57.07 55.88 2hfg s TYR 90 Cb -0.16 -2.27 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 2hfg s TYR 90 CO 0.11 -0.40 0.10 0.71 -1.11 0.00 0.00 175.55 174.96 2hfg s TYR 91 N 1.61 3.28 0.20 2.71 2.02 0.13 -1.46 117.35 125.84 2hfg s TYR 91 Ca 0.05 0.16 0.07 0.00 -0.37 0.00 0.00 57.07 56.99 2hfg s TYR 91 Cb -0.16 -1.69 -0.04 0.00 -0.40 0.00 0.00 41.96 39.67 2hfg s TYR 91 CO 0.04 0.55 0.03 0.00 -1.57 0.00 0.00 175.55 174.60 2hfg s ALA 93 N -1.90 -0.83 -0.14 0.00 0.00 0.73 -1.13 121.76 118.50 2hfg s ALA 93 Ca 0.29 0.29 -0.10 0.00 0.00 0.00 0.00 51.96 52.44 2hfg s ALA 93 Cb -0.09 0.16 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2hfg s ALA 93 CO 0.20 -0.32 0.19 0.50 0.00 0.00 0.00 175.76 176.33 2hfg s ARG 94 N -1.75 3.84 -0.44 0.00 3.52 -0.03 -0.70 118.95 123.39 2hfg s ARG 94 Ca -0.10 -0.06 -0.25 0.00 -0.13 0.00 0.00 55.73 55.19 2hfg s ARG 94 Cb -0.03 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.08 2hfg s ARG 94 CO 0.02 0.55 0.90 0.50 -0.81 0.00 0.00 175.30 176.45 2hfg s ARG 95 N -0.40 3.59 0.22 5.12 3.52 -0.84 -2.80 118.95 127.36 2hfg s ARG 95 Ca 0.14 0.22 -0.27 0.00 -0.13 0.00 0.00 55.73 55.69 2hfg s ARG 95 Cb -0.12 -3.90 -0.09 0.00 -1.56 0.00 0.00 34.95 29.28 2hfg s ARG 95 CO 0.03 -1.13 0.86 0.54 -0.81 0.00 0.00 175.30 174.80 2hfg s VAL 96 N 3.60 4.23 -0.02 7.11 0.11 -0.13 -4.34 120.40 130.97 2hfg s VAL 96 Ca 0.36 1.87 0.06 0.00 -2.93 0.00 0.00 61.98 61.34 2hfg s VAL 96 Cb -0.11 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.53 2hfg s VAL 96 CO 0.24 0.46 -0.20 0.00 -3.33 0.00 0.00 175.10 172.26 2hfg s TYR 98 N -0.48 2.33 -0.57 0.00 2.02 0.39 -4.93 117.35 116.11 2hfg s TYR 98 Ca 0.08 -0.39 -0.28 0.00 -0.37 0.00 0.00 57.07 56.10 2hfg s TYR 98 Cb -0.08 -1.34 0.02 0.00 -0.40 0.00 0.00 41.96 40.16 2hfg s TYR 98 CO -0.01 0.21 1.29 1.21 -1.57 0.00 0.00 175.55 176.67 2hfg s ASN 99 N -1.54 6.33 -0.34 2.29 3.84 -1.26 -1.30 114.94 122.95 2hfg s ASN 99 Ca 0.13 0.21 0.00 0.00 0.21 0.00 0.00 52.86 53.41 2hfg s ASN 99 Cb -0.10 -2.55 0.09 0.00 -0.55 0.00 0.00 41.25 38.14 2hfg s ASN 99 CO 0.04 -1.56 0.07 -0.60 -2.79 0.00 0.00 177.10 172.26 2hfg s ARG 100 N 5.16 1.99 -1.45 0.43 3.52 -0.54 -4.75 118.95 123.30 2hfg s ARG 100 Ca 0.47 -1.64 -0.10 0.00 -0.13 0.00 0.00 55.73 54.33 2hfg s ARG 100 Cb -0.09 -3.30 0.06 0.00 -1.56 0.00 0.00 34.95 30.06 2hfg s ARG 100 CO 0.26 -0.86 0.76 1.28 -0.81 0.00 0.00 175.30 175.92 2hfg n LEU 100 N 4.48 -2.32 0.00 -0.88 4.77 -1.26 -1.65 117.00 120.14 2hfg n LEU 100 Ca -0.04 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 2hfg n LEU 100 Cb 0.42 -2.55 0.00 0.00 -2.33 0.00 0.00 43.42 38.97 2hfg n LEU 100 CO 0.27 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2hfg n GLY 100 N -1.52 2.47 3.55 -0.72 0.00 -1.26 -5.04 105.19 102.66 2hfg n GLY 100 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.76 2hfg n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2hfg s VAL 100 N -2.29 2.96 -0.01 1.61 -7.23 -0.66 -5.06 120.40 109.72 2hfg s VAL 100 Ca 0.00 -2.01 -0.30 0.00 -1.81 0.00 0.00 61.98 57.86 2hfg s VAL 100 Cb 0.00 -2.53 -0.07 0.00 0.56 0.00 0.00 36.38 34.35 2hfg s VAL 100 CO 0.00 -0.28 1.66 0.00 -0.31 0.00 0.00 175.10 176.17 2hfg s ALA 100 N 3.55 3.39 -0.00 0.00 0.00 -0.42 -4.91 121.76 123.38 2hfg s ALA 100 Ca 0.74 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 2hfg s ALA 100 Cb -0.36 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2hfg s ALA 100 CO 0.31 -0.44 0.05 0.41 0.00 0.00 0.00 175.76 176.08 2hfg n GLY 100 N 4.83 0.66 3.38 0.00 0.00 -0.91 -0.46 105.19 112.69 2hfg n GLY 100 Ca -0.15 -0.85 -0.45 0.00 0.00 0.00 0.00 46.02 44.58 2hfg n GLY 100 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2hfg s MET 100 N -2.00 3.04 -0.19 1.61 -1.94 -1.26 -0.95 119.30 117.61 2hfg s MET 100 Ca 0.01 -1.30 0.02 0.00 -1.71 0.00 0.00 55.69 52.71 2hfg s MET 100 Cb -0.00 -4.22 -0.21 0.00 2.01 0.00 0.00 34.83 32.40 2hfg s MET 100 CO -0.00 -1.39 0.06 -0.40 -0.01 0.00 0.00 175.02 173.29 2hfg n ASP 101 N 5.99 1.67 -4.49 3.03 5.75 -1.12 -4.91 116.55 122.47 2hfg n ASP 101 Ca -0.10 0.03 -0.33 0.00 -0.01 0.00 0.00 54.79 54.38 2hfg n ASP 101 Cb 0.43 -0.33 -0.13 0.00 -1.03 0.00 0.00 41.12 40.06 2hfg n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2hfg s TYR 102 N -2.53 2.87 0.01 2.11 2.02 -1.26 -5.02 117.35 115.54 2hfg s TYR 102 Ca -0.25 -0.24 0.03 0.00 -0.37 0.00 0.00 57.07 56.24 2hfg s TYR 102 Cb 0.08 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.86 2hfg s TYR 102 CO 0.70 0.10 -0.10 -1.58 -1.57 0.00 0.00 175.55 173.10 2hfg s TRP 103 N -0.29 0.86 1.22 2.71 0.52 -1.26 -0.85 118.94 121.84 2hfg s TRP 103 Ca 0.03 -0.23 -0.18 0.00 0.02 0.00 0.00 56.10 55.74 2hfg s TRP 103 Cb -0.13 -0.53 0.29 0.00 -1.15 0.00 0.00 33.47 31.95 2hfg s TRP 103 CO 0.03 -0.01 1.06 0.20 0.02 0.00 0.00 176.95 178.24 2hfg s GLY 104 N -0.57 1.54 0.01 0.98 0.00 -0.28 -4.61 107.32 104.38 2hfg s GLY 104 Ca 0.01 -0.74 0.27 0.00 0.00 0.00 0.00 44.72 44.27 2hfg s GLY 104 CO 0.00 0.11 1.67 0.61 0.00 0.00 0.00 173.10 175.49 2hfg n GLN 105 N -4.88 0.01 0.00 2.90 -0.00 -1.26 -4.76 117.38 109.39 2hfg n GLN 105 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 57.00 57.11 2hfg n GLN 105 Cb 0.59 -1.51 0.00 0.00 -0.00 0.00 0.00 30.24 29.32 2hfg n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2hfg n GLY 106 N 1.49 -1.01 2.93 2.61 0.00 -1.26 -5.03 105.19 104.92 2hfg n GLY 106 Ca 0.06 -1.25 -0.20 0.00 0.00 0.00 0.00 46.02 44.63 2hfg n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hfg s THR 107 N -1.12 0.63 -0.14 2.61 -1.32 -0.54 -4.91 115.64 110.85 2hfg s THR 107 Ca 0.00 -0.21 -0.29 0.00 -1.21 0.00 0.00 61.69 59.97 2hfg s THR 107 Cb 0.00 -0.61 -0.01 0.00 -1.51 0.00 0.00 72.50 70.37 2hfg s THR 107 CO 0.00 0.23 1.02 -0.22 -2.21 0.00 0.00 174.62 173.44 2hfg s LEU 108 N 0.64 4.20 -0.23 9.08 0.20 -1.26 -1.05 118.68 130.27 2hfg s LEU 108 Ca -0.09 1.49 -0.04 0.00 0.69 0.00 0.00 54.13 56.17 2hfg s LEU 108 Cb -0.12 -3.55 -0.01 0.00 -0.43 0.00 0.00 46.19 42.08 2hfg s LEU 108 CO 0.01 -0.52 -0.03 -0.69 -0.29 0.00 0.00 176.35 174.83 2hfg s VAL 109 N 2.37 3.46 -0.21 1.68 1.01 0.27 -1.57 120.40 127.40 2hfg s VAL 109 Ca 0.47 -0.51 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 2hfg s VAL 109 Cb -0.17 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 2hfg s VAL 109 CO 0.14 0.38 -0.04 -0.89 0.00 0.00 0.00 175.10 174.70 2hfg s THR 110 N 1.48 3.49 -0.35 3.92 2.01 -0.25 -1.29 115.64 124.66 2hfg s THR 110 Ca 0.05 -0.46 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 2hfg s THR 110 Cb -0.15 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.79 2hfg s THR 110 CO -0.02 0.43 0.18 -0.69 -0.69 0.00 0.00 174.62 173.82 2hfg s VAL 111 N 1.33 4.58 -0.25 3.82 1.01 -1.26 -1.53 120.40 128.09 2hfg s VAL 111 Ca 0.04 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.05 2hfg s VAL 111 Cb -0.14 -3.46 0.17 0.00 0.00 0.00 0.00 36.38 32.95 2hfg s VAL 111 CO -0.01 -0.10 1.25 -0.55 0.00 0.00 0.00 175.10 175.69 2hfg s SER 112 N 1.58 -0.13 0.00 3.32 0.15 -0.02 -4.49 113.70 114.10 2hfg s SER 112 Ca 0.03 0.15 0.25 0.00 0.70 0.00 0.00 55.95 57.08 2hfg s SER 112 Cb -0.18 0.11 0.43 0.00 -1.71 0.00 0.00 66.02 64.67 2hfg s SER 112 CO 0.06 -0.12 1.36 -1.54 1.20 0.00 0.00 173.24 174.20 2hfg n SER 113 N 0.60 0.91 -4.71 5.45 3.41 -1.26 -4.10 113.62 113.92 2hfg n SER 113 Ca -0.03 -0.71 -0.34 0.00 -0.26 0.00 0.00 58.87 57.53 2hfg n SER 113 Cb 0.59 0.34 0.10 0.00 -0.26 0.00 0.00 64.21 64.98 2hfg n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2hfg s ALA 114 N -2.78 2.04 0.26 7.33 0.00 -1.26 -5.00 121.76 122.34 2hfg s ALA 114 Ca 0.16 0.93 -0.10 0.00 0.00 0.00 0.00 51.96 52.95 2hfg s ALA 114 Cb 0.18 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 2hfg s ALA 114 CO 0.65 -2.02 0.59 -1.12 0.00 0.00 0.00 175.76 173.86 2hfg s SER 115 N -1.97 6.63 -0.15 0.00 0.01 -1.26 -5.03 113.70 111.92 2hfg s SER 115 Ca 0.75 0.97 -0.29 0.00 1.31 0.00 0.00 55.95 58.69 2hfg s SER 115 Cb -0.31 -2.25 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 2hfg s SER 115 CO 0.47 -0.12 1.31 0.42 0.41 0.00 0.00 173.24 175.73 2hfg s THR 116 N -1.89 4.19 -0.05 1.44 -4.23 -1.26 -4.72 115.64 109.12 2hfg s THR 116 Ca 0.48 1.44 0.06 0.00 -1.18 0.00 0.00 61.69 62.50 2hfg s THR 116 Cb -0.11 -3.93 -0.01 0.00 1.34 0.00 0.00 72.50 69.79 2hfg s THR 116 CO 0.22 -0.13 -0.24 -0.75 -0.54 0.00 0.00 174.62 173.18 2hfg s LYS 117 N 3.57 2.49 0.42 3.99 2.20 -0.53 -4.94 119.74 126.94 2hfg s LYS 117 Ca 0.57 -0.89 -0.20 0.00 -0.36 0.00 0.00 55.97 55.09 2hfg s LYS 117 Cb -0.23 -2.16 -0.10 0.00 -1.51 0.00 0.00 37.83 33.82 2hfg s LYS 117 CO 0.16 0.42 0.92 0.20 -0.36 0.00 0.00 175.35 176.70 2hfg s GLY 118 N -0.26 2.35 0.79 5.54 0.00 -1.26 -1.42 107.32 113.05 2hfg s GLY 118 Ca -0.00 0.33 -0.12 0.00 0.00 0.00 0.00 44.72 44.92 2hfg s GLY 118 CO 0.03 0.59 1.13 2.56 0.00 0.00 0.00 173.10 177.41 2hfg s PRO 119 N -3.24 2.17 -0.05 2.90 0.04 -1.26 -4.66 135.00 130.90 2hfg s PRO 119 Ca 0.61 0.38 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 2hfg s PRO 119 Cb -0.09 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2hfg s PRO 119 CO 0.15 -1.51 0.03 -1.12 0.04 0.00 0.00 177.00 174.60 2hfg s SER 120 N -4.26 5.36 -0.27 6.66 0.01 -0.21 -4.93 113.70 116.07 2hfg s SER 120 Ca 0.61 0.12 -0.04 0.00 1.31 0.00 0.00 55.95 57.94 2hfg s SER 120 Cb -0.12 -1.50 0.01 0.00 0.21 0.00 0.00 66.02 64.62 2hfg s SER 120 CO 0.52 0.33 0.01 -0.69 0.41 0.00 0.00 173.24 173.81 2hfg s VAL 121 N -1.02 3.44 -0.01 3.43 1.01 -1.26 -0.45 120.40 125.54 2hfg s VAL 121 Ca 0.17 -0.81 0.04 0.00 0.00 0.00 0.00 61.98 61.38 2hfg s VAL 121 Cb -0.12 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 2hfg s VAL 121 CO 0.07 0.17 -0.11 -0.36 0.00 0.00 0.00 175.10 174.87 2hfg s PHE 122 N 1.42 2.79 0.36 5.22 0.08 0.49 -4.94 117.98 123.40 2hfg s PHE 122 Ca 0.02 -0.10 -0.25 0.00 0.12 0.00 0.00 56.93 56.72 2hfg s PHE 122 Cb -0.17 -1.60 -0.10 0.00 -0.57 0.00 0.00 43.02 40.59 2hfg s PHE 122 CO -0.01 0.30 0.96 -1.25 -0.10 0.00 0.00 175.22 175.13 2hfg s PRO 123 N -1.20 4.43 -0.46 0.24 0.04 -1.26 -0.07 135.00 136.71 2hfg s PRO 123 Ca 0.15 1.31 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 2hfg s PRO 123 Cb -0.11 -2.61 0.11 0.00 0.04 0.00 0.00 34.50 31.93 2hfg s PRO 123 CO 0.05 0.13 0.33 -0.51 0.04 0.00 0.00 177.00 177.04 2hfg s LEU 124 N -2.42 5.57 0.18 -3.56 1.43 -0.12 -4.82 118.68 114.93 2hfg s LEU 124 Ca 0.54 -1.80 -0.30 0.00 -1.03 0.00 0.00 54.13 51.54 2hfg s LEU 124 Cb -0.17 -2.01 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 2hfg s LEU 124 CO 0.22 -0.66 0.96 0.00 0.23 0.00 0.00 176.35 177.10 2hfg s ALA 125 N 1.38 3.30 0.36 4.21 0.00 -1.26 -2.37 121.76 127.37 2hfg s ALA 125 Ca 0.05 0.61 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 2hfg s ALA 125 Cb -0.25 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 2hfg s ALA 125 CO 0.00 0.08 1.17 -1.25 0.00 0.00 0.00 175.76 175.76 2hfg s PRO 126 N -0.59 4.26 2.54 0.00 0.04 -1.26 -4.92 135.00 135.07 2hfg s PRO 126 Ca 0.44 1.89 0.00 0.00 0.04 0.00 0.00 61.00 63.37 2hfg s PRO 126 Cb -0.25 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.42 2hfg s PRO 126 CO 0.31 -0.15 0.00 0.45 0.04 0.00 0.00 177.00 177.65 2hfg n SER 127 N 0.49 -3.49 0.00 6.66 2.88 -1.26 -4.46 113.62 114.43 2hfg n SER 127 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2hfg n SER 127 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2hfg n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hfg n GLY 134 N 0.00 4.11 3.18 0.46 0.00 -1.26 -4.86 105.19 106.82 2hfg n GLY 134 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 2hfg n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hfg s THR 135 N 0.00 1.52 0.01 2.61 2.01 -1.26 -0.90 115.64 119.63 2hfg s THR 135 Ca 0.00 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.26 2hfg s THR 135 Cb 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2hfg s THR 135 CO 0.00 0.43 -0.16 0.00 -0.69 0.00 0.00 174.62 174.20 2hfg s ALA 136 N -0.28 2.66 -0.12 7.40 0.00 -0.36 -4.82 121.76 126.24 2hfg s ALA 136 Ca 0.03 -1.12 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 2hfg s ALA 136 Cb -0.09 -0.84 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2hfg s ALA 136 CO 0.00 0.57 0.10 0.00 0.00 0.00 0.00 175.76 176.44 2hfg s ALA 137 N -0.88 3.71 0.29 0.00 0.00 -1.26 -1.17 121.76 122.46 2hfg s ALA 137 Ca 0.14 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 2hfg s ALA 137 Cb -0.11 -1.86 -0.00 0.00 0.00 0.00 0.00 23.12 21.15 2hfg s ALA 137 CO 0.04 0.58 0.44 -0.48 0.00 0.00 0.00 175.76 176.34 2hfg s LEU 138 N -0.88 0.75 0.00 0.00 0.05 -0.70 -4.11 118.68 113.79 2hfg s LEU 138 Ca 0.14 -1.26 0.00 0.00 0.05 0.00 0.00 54.13 53.06 2hfg s LEU 138 Cb -0.12 1.48 0.00 0.00 -2.05 0.00 0.00 46.19 45.50 2hfg s LEU 138 CO 0.03 -1.19 0.00 0.61 -0.55 0.00 0.00 176.35 175.25 2hfg n GLY 139 N -0.46 -0.93 3.26 -3.48 0.00 -1.00 -0.56 105.19 102.02 2hfg n GLY 139 Ca -0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2hfg n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfg s LEU 141 N -1.61 2.83 -0.44 0.00 2.96 0.89 -1.48 118.68 121.83 2hfg s LEU 141 Ca -0.10 -0.37 -0.04 0.00 -0.22 0.00 0.00 54.13 53.40 2hfg s LEU 141 Cb -0.03 -1.69 0.12 0.00 0.50 0.00 0.00 46.19 45.08 2hfg s LEU 141 CO 0.02 0.05 0.25 -0.69 -1.32 0.00 0.00 176.35 174.65 2hfg s VAL 142 N 1.06 3.46 -0.07 1.68 1.01 0.47 -0.38 120.40 127.64 2hfg s VAL 142 Ca 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 61.98 59.90 2hfg s VAL 142 Cb -0.15 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 2hfg s VAL 142 CO -0.01 -0.72 -0.14 -0.75 0.00 0.00 0.00 175.10 173.47 2hfg s LYS 143 N 1.05 2.71 -0.34 2.72 2.20 0.40 -1.65 119.74 126.84 2hfg s LYS 143 Ca 0.09 -0.70 -0.02 0.00 -0.36 0.00 0.00 55.97 54.98 2hfg s LYS 143 Cb -0.23 -2.43 -0.02 0.00 -1.51 0.00 0.00 37.83 33.64 2hfg s LYS 143 CO -0.04 0.52 0.30 -0.25 -0.36 0.00 0.00 175.35 175.52 2hfg n ASP 144 N 2.61 -3.65 -4.37 1.43 8.00 -0.21 -1.04 116.55 119.30 2hfg n ASP 144 Ca -0.17 -0.20 -0.21 0.00 0.71 0.00 0.00 54.79 54.92 2hfg n ASP 144 Cb 0.52 -2.17 -0.10 0.00 -0.02 0.00 0.00 41.12 39.35 2hfg n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2hfg s TYR 145 N -3.11 1.90 -0.19 1.24 -0.85 -0.79 -4.13 117.35 111.42 2hfg s TYR 145 Ca 0.13 -0.48 -0.18 0.00 -0.52 0.00 0.00 57.07 56.01 2hfg s TYR 145 Cb -0.02 -0.89 0.05 0.00 0.38 0.00 0.00 41.96 41.49 2hfg s TYR 145 CO 0.25 0.43 0.53 0.12 -1.52 0.00 0.00 175.55 175.36 2hfg s PHE 146 N -2.52 -0.58 0.16 -3.49 5.36 -0.51 -0.23 117.98 116.17 2hfg s PHE 146 Ca 0.22 1.40 -0.01 0.00 -0.96 0.00 0.00 56.93 57.58 2hfg s PHE 146 Cb -0.04 0.20 0.03 0.00 -0.34 0.00 0.00 43.02 42.88 2hfg s PHE 146 CO 0.09 -0.28 0.21 -0.35 -1.46 0.00 0.00 175.22 173.43 2hfg n PRO 147 N 2.76 0.33 -1.26 10.12 -0.04 -1.26 -1.45 135.00 144.20 2hfg n PRO 147 Ca -0.14 -0.52 -0.33 0.00 -0.04 0.00 0.00 63.50 62.48 2hfg n PRO 147 Cb 0.56 -0.16 0.10 0.00 -0.04 0.00 0.00 33.50 33.97 2hfg n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hfg s GLU 148 N -3.06 1.98 0.46 0.54 0.41 -1.26 -4.78 118.70 112.99 2hfg s GLU 148 Ca 0.14 1.53 0.07 0.00 -0.41 0.00 0.00 54.97 56.29 2hfg s GLU 148 Cb -0.01 -1.84 -0.01 0.00 -1.78 0.00 0.00 34.13 30.49 2hfg s GLU 148 CO 0.09 -1.91 0.31 -1.25 -0.49 0.00 0.00 175.26 172.01 2hfg s PRO 149 N -4.33 2.33 0.08 0.39 0.04 -1.26 -4.94 135.00 127.31 2hfg s PRO 149 Ca 0.69 -1.83 0.07 0.00 0.04 0.00 0.00 61.00 59.97 2hfg s PRO 149 Cb -0.24 -2.13 -0.04 0.00 0.04 0.00 0.00 34.50 32.14 2hfg s PRO 149 CO 0.50 -0.32 -0.12 0.08 0.04 0.00 0.00 177.00 177.18 2hfg s VAL 150 N -2.63 3.22 0.07 -0.36 1.01 -1.26 -4.37 120.40 116.08 2hfg s VAL 150 Ca 0.40 -1.22 0.06 0.00 0.00 0.00 0.00 61.98 61.22 2hfg s VAL 150 Cb -0.00 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2hfg s VAL 150 CO 0.23 0.19 -0.08 0.42 0.00 0.00 0.00 175.10 175.86 2hfg s THR 151 N -1.12 3.51 -0.05 3.92 -4.23 -0.33 -4.99 115.64 112.35 2hfg s THR 151 Ca 0.19 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2hfg s THR 151 Cb -0.11 -2.60 0.03 0.00 1.34 0.00 0.00 72.50 71.16 2hfg s THR 151 CO 0.11 0.21 0.02 -0.69 -0.54 0.00 0.00 174.62 173.72 2hfg s VAL 152 N -1.15 0.18 0.20 2.29 1.01 -1.26 -1.71 120.40 119.97 2hfg s VAL 152 Ca 0.20 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.42 2hfg s VAL 152 Cb -0.11 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 2hfg s VAL 152 CO 0.12 0.20 -0.06 -0.94 0.00 0.00 0.00 175.10 174.42 2hfg s SER 153 N 1.69 2.02 -0.00 3.32 1.04 -0.51 -4.98 113.70 116.28 2hfg s SER 153 Ca -0.00 -1.12 0.08 0.00 0.48 0.00 0.00 55.95 55.39 2hfg s SER 153 Cb -0.13 -0.04 -0.02 0.00 0.10 0.00 0.00 66.02 65.94 2hfg s SER 153 CO -0.03 -0.39 -0.26 0.26 0.98 0.00 0.00 173.24 173.80 2hfg s TRP 154 N -3.29 2.33 -1.64 5.02 0.52 -1.26 0.01 118.94 120.64 2hfg s TRP 154 Ca 0.24 -0.43 -0.07 0.00 0.02 0.00 0.00 56.10 55.86 2hfg s TRP 154 Cb 0.04 -1.47 0.07 0.00 -1.15 0.00 0.00 33.47 30.95 2hfg s TRP 154 CO 0.06 0.00 0.18 0.09 0.02 0.00 0.00 176.95 177.30 2hfg n ASN 155 N 2.28 0.12 -3.82 2.95 3.02 0.02 -1.75 115.26 118.08 2hfg n ASN 155 Ca -0.16 -1.26 -0.28 0.00 -0.03 0.00 0.00 54.58 52.85 2hfg n ASN 155 Cb 0.51 -1.64 0.04 0.00 -0.61 0.00 0.00 39.78 38.08 2hfg n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2hfg n SER 156 N -2.77 -5.00 0.00 6.41 7.64 -1.26 -2.24 113.62 116.40 2hfg n SER 156 Ca -0.20 -0.72 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2hfg n SER 156 Cb 0.63 -4.21 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 2hfg n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hfg n GLY 157 N -1.76 0.72 0.08 0.23 0.00 -0.71 -4.96 105.19 98.78 2hfg n GLY 157 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 2hfg n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hfg h ALA 158 N 0.00 0.71 -3.01 4.61 0.00 -1.28 -3.45 119.26 116.84 2hfg h ALA 158 Ca 0.00 -1.26 -0.65 0.00 0.00 0.00 0.00 54.91 53.00 2hfg h ALA 158 Cb 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 17.79 17.92 2hfg h ALA 158 CO 0.00 1.39 -0.66 -1.17 0.00 0.00 0.00 179.25 178.80 2hfg s LEU 159 N -6.08 3.22 0.00 0.00 0.20 -1.10 -4.92 118.68 110.01 2hfg s LEU 159 Ca -0.04 -0.26 0.00 0.00 0.69 0.00 0.00 54.13 54.52 2hfg s LEU 159 Cb 0.08 -1.84 0.00 0.00 -0.43 0.00 0.00 46.19 44.00 2hfg s LEU 159 CO 0.82 -0.01 0.00 0.35 -0.29 0.00 0.00 176.35 177.22 2hfg n THR 160 N 4.72 0.00 -2.32 3.68 -2.24 -1.26 -4.07 114.28 112.78 2hfg n THR 160 Ca -0.17 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 2hfg n THR 160 Cb 0.51 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 2hfg n THR 160 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2hfg s SER 161 N -1.91 7.01 0.00 3.42 0.01 -1.26 -2.86 113.70 118.12 2hfg s SER 161 Ca 0.00 2.26 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2hfg s SER 161 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2hfg s SER 161 CO 0.00 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.81 2hfg n GLY 162 N 2.46 0.55 3.74 3.44 0.00 -1.26 -4.75 105.19 109.38 2hfg n GLY 162 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 2hfg n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hfg s VAL 163 N -2.38 4.36 -0.20 1.61 1.01 -1.13 -3.00 120.40 120.67 2hfg s VAL 163 Ca 0.00 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.96 2hfg s VAL 163 Cb 0.00 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.15 2hfg s VAL 163 CO 0.00 0.40 0.05 -1.00 0.00 0.00 0.00 175.10 174.55 2hfg s HIS 164 N -0.49 0.89 -0.37 5.22 3.76 0.12 -4.99 115.29 119.44 2hfg s HIS 164 Ca 0.43 -0.81 -0.13 0.00 -0.15 0.00 0.00 55.06 54.41 2hfg s HIS 164 Cb -0.24 -1.00 0.01 0.00 1.11 0.00 0.00 32.58 32.46 2hfg s HIS 164 CO 0.30 -0.61 0.24 0.99 -0.85 0.00 0.00 174.74 174.81 2hfg s THR 165 N 1.90 5.03 0.63 1.30 2.01 -1.26 -0.34 115.64 124.91 2hfg s THR 165 Ca 0.00 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.33 2hfg s THR 165 Cb -0.17 -3.70 -0.02 0.00 0.01 0.00 0.00 72.50 68.62 2hfg s THR 165 CO -0.10 -0.14 1.06 -0.36 -0.69 0.00 0.00 174.62 174.39 2hfg s PHE 166 N 1.66 2.96 0.56 4.92 0.08 -0.32 -4.99 117.98 122.85 2hfg s PHE 166 Ca 0.05 1.50 -0.20 0.00 0.12 0.00 0.00 56.93 58.40 2hfg s PHE 166 Cb -0.18 -3.00 -0.06 0.00 -0.57 0.00 0.00 43.02 39.21 2hfg s PHE 166 CO 0.09 -1.21 1.03 -2.30 -0.10 0.00 0.00 175.22 172.73 2hfg n PRO 167 N -2.34 1.10 -2.21 0.24 -0.02 -1.26 -4.70 135.00 125.81 2hfg n PRO 167 Ca 0.09 0.41 -0.36 0.00 -2.02 0.00 0.00 63.50 61.62 2hfg n PRO 167 Cb 0.53 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2hfg n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hfg s ALA 168 N -1.44 2.79 -0.06 3.55 0.00 -1.26 -4.78 121.76 120.56 2hfg s ALA 168 Ca 0.73 0.92 0.06 0.00 0.00 0.00 0.00 51.96 53.66 2hfg s ALA 168 Cb -0.44 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.28 2hfg s ALA 168 CO 0.49 -0.80 -0.24 0.08 0.00 0.00 0.00 175.76 175.29 2hfg s VAL 169 N -1.64 2.14 -0.43 0.00 1.01 -0.03 -4.95 120.40 116.50 2hfg s VAL 169 Ca 0.70 -1.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.36 2hfg s VAL 169 Cb -0.27 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.35 2hfg s VAL 169 CO 0.32 0.57 1.03 -0.22 0.00 0.00 0.00 175.10 176.80 2hfg s LEU 170 N -0.22 3.85 0.72 3.92 1.98 -1.26 -1.73 118.68 125.94 2hfg s LEU 170 Ca -0.02 0.46 -0.11 0.00 -2.89 0.00 0.00 54.13 51.57 2hfg s LEU 170 Cb -0.13 -3.39 0.02 0.00 0.66 0.00 0.00 46.19 43.35 2hfg s LEU 170 CO 0.03 -1.07 1.07 -1.10 -1.89 0.00 0.00 176.35 173.39 2hfg s GLN 171 N 3.97 2.72 0.57 1.98 -0.21 0.12 -4.94 119.66 123.87 2hfg s GLN 171 Ca 0.43 1.01 0.26 0.00 0.02 0.00 0.00 55.36 57.08 2hfg s GLN 171 Cb -0.09 -1.96 1.68 0.00 1.00 0.00 0.00 33.01 33.64 2hfg s GLN 171 CO 0.26 -1.27 2.22 0.66 -2.12 0.00 0.00 175.29 175.04 2hfg h SER 172 N -0.85 0.00 0.32 5.90 4.64 -1.96 -0.44 113.55 121.17 2hfg h SER 172 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2hfg h SER 172 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2hfg h SER 172 CO 0.55 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.97 2hfg n SER 173 N -4.01 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 111.86 2hfg n SER 173 Ca -0.03 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2hfg n SER 173 Cb 0.10 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 2hfg n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hfg n GLY 174 N 0.17 0.65 3.41 5.00 0.00 -0.17 -5.05 105.19 109.20 2hfg n GLY 174 Ca 0.08 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 2hfg n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hfg s LEU 175 N 0.00 2.42 0.59 0.99 1.43 -1.25 -4.89 118.68 117.97 2hfg s LEU 175 Ca 0.00 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.47 2hfg s LEU 175 Cb 0.00 -1.40 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 2hfg s LEU 175 CO 0.00 0.24 0.99 -0.31 0.23 0.00 0.00 176.35 177.50 2hfg s TYR 176 N -0.91 3.61 0.00 0.29 2.02 0.68 -0.70 117.35 122.35 2hfg s TYR 176 Ca 0.14 1.22 -0.21 0.00 -0.37 0.00 0.00 57.07 57.85 2hfg s TYR 176 Cb -0.10 -2.65 0.04 0.00 -0.40 0.00 0.00 41.96 38.85 2hfg s TYR 176 CO 0.04 -0.61 0.45 0.45 -1.57 0.00 0.00 175.55 174.31 2hfg s SER 177 N -4.14 -0.36 0.17 2.29 0.15 -0.70 -1.05 113.70 110.06 2hfg s SER 177 Ca 0.54 0.22 -0.18 0.00 0.70 0.00 0.00 55.95 57.23 2hfg s SER 177 Cb -0.11 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.66 2hfg s SER 177 CO 0.52 -0.58 0.51 -1.48 1.20 0.00 0.00 173.24 173.41 2hfg s LEU 178 N -1.57 0.03 0.03 3.45 0.05 -0.66 -0.85 118.68 119.17 2hfg s LEU 178 Ca -0.10 -0.36 0.09 0.00 0.05 0.00 0.00 54.13 53.82 2hfg s LEU 178 Cb -0.02 2.16 -0.03 0.00 -2.05 0.00 0.00 46.19 46.26 2hfg s LEU 178 CO 0.03 -0.99 -0.26 -0.44 -0.55 0.00 0.00 176.35 174.14 2hfg s SER 179 N -2.83 3.05 -0.07 1.48 0.01 -1.26 -0.40 113.70 113.68 2hfg s SER 179 Ca 0.06 -0.56 0.04 0.00 1.31 0.00 0.00 55.95 56.80 2hfg s SER 179 Cb -0.00 -0.28 -0.02 0.00 0.21 0.00 0.00 66.02 65.92 2hfg s SER 179 CO -0.07 0.26 -0.18 -0.55 0.41 0.00 0.00 173.24 173.11 2hfg s SER 180 N -1.13 3.70 0.12 2.44 0.15 -0.55 -1.17 113.70 117.26 2hfg s SER 180 Ca 0.11 -0.33 0.04 0.00 0.70 0.00 0.00 55.95 56.46 2hfg s SER 180 Cb -0.10 -1.02 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2hfg s SER 180 CO 0.02 0.27 -0.10 0.68 1.20 0.00 0.00 173.24 175.30 2hfg s VAL 181 N -0.28 1.05 0.00 4.45 -7.23 0.54 -0.41 120.40 118.52 2hfg s VAL 181 Ca 0.01 -1.87 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 2hfg s VAL 181 Cb -0.13 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.20 2hfg s VAL 181 CO 0.03 -0.67 0.22 0.54 -0.31 0.00 0.00 175.10 174.91 2hfg s VAL 182 N -2.94 0.08 -0.16 1.32 0.11 0.28 0.14 120.40 119.23 2hfg s VAL 182 Ca 0.11 -0.64 -0.05 0.00 -2.93 0.00 0.00 61.98 58.47 2hfg s VAL 182 Cb 0.00 -0.60 -0.03 0.00 -1.53 0.00 0.00 36.38 34.22 2hfg s VAL 182 CO -0.00 -0.35 0.02 0.42 -3.33 0.00 0.00 175.10 171.86 2hfg s THR 183 N -1.59 4.40 0.24 5.04 -4.23 -1.16 -1.71 115.64 116.62 2hfg s THR 183 Ca -0.12 -0.18 0.06 0.00 -1.18 0.00 0.00 61.69 60.26 2hfg s THR 183 Cb -0.05 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 2hfg s THR 183 CO 0.02 0.50 -0.07 0.68 -0.54 0.00 0.00 174.62 175.20 2hfg s VAL 184 N 0.18 1.46 0.29 2.29 -7.23 -0.31 -4.79 120.40 112.29 2hfg s VAL 184 Ca 0.02 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 2hfg s VAL 184 Cb -0.13 -2.27 -0.12 0.00 0.56 0.00 0.00 36.38 34.42 2hfg s VAL 184 CO 0.02 -0.42 1.56 -2.65 -0.31 0.00 0.00 175.10 173.29 2hfg n PRO 185 N -0.46 2.59 0.29 4.82 -0.02 -1.26 -1.22 135.00 139.73 2hfg n PRO 185 Ca -0.06 0.92 0.19 0.00 -2.02 0.00 0.00 63.50 62.52 2hfg n PRO 185 Cb 0.63 -2.68 0.83 0.00 -0.02 0.00 0.00 33.50 32.25 2hfg n PRO 185 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2hfg h SER 186 N 4.58 0.00 0.84 2.55 0.87 -1.34 -2.76 113.55 118.29 2hfg h SER 186 Ca -0.47 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.01 2hfg h SER 186 Cb 1.23 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.18 2hfg h SER 186 CO 0.78 0.00 -0.37 0.77 -0.53 0.00 0.00 176.83 177.47 2hfg h SER 187 N 0.00 0.00 1.24 6.23 4.64 -1.90 -3.31 113.55 120.45 2hfg h SER 187 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hfg h SER 187 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2hfg h SER 187 CO 0.00 0.37 -0.23 -1.54 -0.87 0.00 0.00 176.83 174.56 2hfg n SER 188 N -3.54 0.76 -0.30 4.97 3.41 -1.04 -4.37 113.62 113.51 2hfg n SER 188 Ca -0.00 0.40 0.22 0.00 -0.26 0.00 0.00 58.87 59.23 2hfg n SER 188 Cb 0.51 -0.43 0.52 0.00 -0.26 0.00 0.00 64.21 64.54 2hfg n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 2hfg h LEU 189 N 0.00 0.42 -0.61 1.04 3.38 -1.72 0.29 115.31 118.11 2hfg h LEU 189 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2hfg h LEU 189 Cb 0.74 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2hfg h LEU 189 CO 0.00 0.11 -0.10 0.61 0.09 0.00 0.00 178.44 179.14 2hfg n GLY 190 N -1.50 -0.44 1.14 0.83 0.00 -1.26 -4.61 105.19 99.36 2hfg n GLY 190 Ca 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.88 2hfg n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hfg n THR 191 N -0.38 0.14 -2.84 2.61 -2.24 0.90 -5.02 114.28 107.46 2hfg n THR 191 Ca 0.16 0.05 -0.41 0.00 -2.27 0.00 0.00 64.05 61.58 2hfg n THR 191 Cb 0.32 -1.37 -0.04 0.00 -2.10 0.00 0.00 70.33 67.14 2hfg n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2hfg s GLN 192 N -2.00 4.56 0.14 -0.78 2.00 -0.40 -5.05 119.66 118.13 2hfg s GLN 192 Ca 0.00 1.25 -0.21 0.00 -2.00 0.00 0.00 55.36 54.40 2hfg s GLN 192 Cb 0.00 -3.41 -0.07 0.00 0.80 0.00 0.00 33.01 30.32 2hfg s GLN 192 CO 0.00 0.12 0.67 0.95 -0.50 0.00 0.00 175.29 176.53 2hfg s THR 193 N 0.45 4.59 -0.16 -0.34 -4.23 -1.26 -4.75 115.64 109.94 2hfg s THR 193 Ca 0.45 1.37 0.01 0.00 -1.18 0.00 0.00 61.69 62.34 2hfg s THR 193 Cb -0.21 -3.96 0.01 0.00 1.34 0.00 0.00 72.50 69.68 2hfg s THR 193 CO 0.26 0.45 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.29 2hfg s TYR 194 N -1.23 2.75 -0.08 3.99 2.02 -1.26 -4.98 117.35 118.56 2hfg s TYR 194 Ca 0.35 -1.31 0.03 0.00 -0.37 0.00 0.00 57.07 55.76 2hfg s TYR 194 Cb -0.20 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.49 2hfg s TYR 194 CO 0.22 -0.62 -0.16 0.42 -1.57 0.00 0.00 175.55 173.84 2hfg s ILE 195 N 0.98 1.42 -0.18 2.71 1.01 -1.26 -1.05 121.20 124.82 2hfg s ILE 195 Ca -0.03 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.83 2hfg s ILE 195 Cb -0.15 -1.27 -0.04 0.00 0.01 0.00 0.00 42.46 41.02 2hfg s ILE 195 CO -0.04 0.42 0.37 0.00 0.00 0.00 0.00 174.94 175.68 2hfg s ASN 197 N 0.85 6.26 -0.05 0.00 -0.87 0.10 -0.93 114.94 120.30 2hfg s ASN 197 Ca 0.18 -1.78 -0.12 0.00 -1.57 0.00 0.00 52.86 49.58 2hfg s ASN 197 Cb -0.14 -2.24 -0.05 0.00 -0.02 0.00 0.00 41.25 38.79 2hfg s ASN 197 CO 0.07 -0.92 0.30 -0.69 -2.57 0.00 0.00 177.10 173.29 2hfg s VAL 198 N 1.82 5.22 -0.04 1.60 1.01 0.31 -1.42 120.40 128.91 2hfg s VAL 198 Ca 0.08 0.59 0.01 0.00 0.00 0.00 0.00 61.98 62.65 2hfg s VAL 198 Cb -0.25 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2hfg s VAL 198 CO 0.02 0.59 -0.02 0.21 0.00 0.00 0.00 175.10 175.91 2hfg s ASN 199 N -1.05 0.65 -0.50 3.32 3.04 -0.69 -1.01 114.94 118.71 2hfg s ASN 199 Ca 0.20 -0.07 0.03 0.00 0.04 0.00 0.00 52.86 53.07 2hfg s ASN 199 Cb -0.15 -0.32 0.13 0.00 -1.54 0.00 0.00 41.25 39.38 2hfg s ASN 199 CO 0.10 -0.08 0.26 -2.28 -3.04 0.00 0.00 177.10 172.05 2hfg s HIS 200 N 0.98 2.78 0.25 0.43 5.65 0.54 -1.18 115.29 124.74 2hfg s HIS 200 Ca -0.10 -2.93 -0.04 0.00 0.25 0.00 0.00 55.06 52.24 2hfg s HIS 200 Cb -0.14 -2.49 0.35 0.00 -1.18 0.00 0.00 32.58 29.12 2hfg s HIS 200 CO -0.01 -0.75 1.87 -0.22 -0.65 0.00 0.00 174.74 174.98 2hfg h LYS 201 N 6.53 1.04 -0.97 2.88 3.64 -1.79 -1.82 116.57 126.09 2hfg h LYS 201 Ca -0.05 -0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.46 2hfg h LYS 201 Cb 0.90 -0.24 -0.09 0.00 -0.41 0.00 0.00 32.23 32.39 2hfg h LYS 201 CO 0.62 0.69 0.61 -1.35 -2.27 0.00 0.00 179.45 177.75 2hfg h PRO 202 N 1.08 0.60 -0.52 1.90 0.11 -1.91 0.21 132.00 133.47 2hfg h PRO 202 Ca 0.39 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.43 2hfg h PRO 202 Cb 0.14 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2hfg h PRO 202 CO -0.16 0.40 0.04 -1.13 -0.21 0.00 0.00 178.00 176.94 2hfg n SER 203 N -4.64 5.04 -2.85 -2.05 3.41 -1.09 -4.96 113.62 106.47 2hfg n SER 203 Ca 0.21 -3.03 -0.12 0.00 -0.26 0.00 0.00 58.87 55.67 2hfg n SER 203 Cb 0.62 -0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 2hfg n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2hfg n ASN 204 N 0.14 -0.09 -4.74 4.04 5.15 0.72 -4.88 115.26 115.60 2hfg n ASN 204 Ca 0.29 -0.42 -0.37 0.00 -0.60 0.00 0.00 54.58 53.47 2hfg n ASN 204 Cb 1.15 -0.53 -0.07 0.00 -0.53 0.00 0.00 39.78 39.80 2hfg n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hfg s THR 205 N -2.71 5.26 -0.15 -0.44 2.01 -0.71 -4.98 115.64 113.91 2hfg s THR 205 Ca 0.12 0.66 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 2hfg s THR 205 Cb -0.07 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.81 2hfg s THR 205 CO 0.34 0.40 0.02 -0.75 -0.69 0.00 0.00 174.62 173.94 2hfg s LYS 206 N 0.32 0.68 0.01 4.92 2.36 -1.26 -0.33 119.74 126.43 2hfg s LYS 206 Ca 0.19 -0.26 0.05 0.00 -2.55 0.00 0.00 55.97 53.41 2hfg s LYS 206 Cb -0.14 -1.76 -0.02 0.00 -1.05 0.00 0.00 37.83 34.87 2hfg s LYS 206 CO 0.06 -0.53 -0.17 0.08 1.55 0.00 0.00 175.35 176.35 2hfg s VAL 207 N 1.89 1.34 -0.21 4.02 1.01 -0.18 -5.02 120.40 123.24 2hfg s VAL 207 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.14 2hfg s VAL 207 Cb -0.15 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.14 2hfg s VAL 207 CO -0.07 0.27 -0.05 -1.81 0.00 0.00 0.00 175.10 173.44 2hfg s ASP 208 N -0.68 3.53 -0.19 3.32 1.01 -1.26 -0.53 116.67 121.87 2hfg s ASP 208 Ca 0.06 -1.02 -0.01 0.00 0.71 0.00 0.00 52.55 52.29 2hfg s ASP 208 Cb -0.07 -1.07 0.01 0.00 1.01 0.00 0.00 42.92 42.80 2hfg s ASP 208 CO 0.00 -0.23 -0.15 -0.75 0.21 0.00 0.00 175.17 174.26 2hfg s LYS 209 N 1.49 3.12 0.26 8.23 2.47 -0.11 -4.92 119.74 130.28 2hfg s LYS 209 Ca -0.04 -0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 53.31 2hfg s LYS 209 Cb -0.18 -2.71 -0.09 0.00 -1.46 0.00 0.00 37.83 33.39 2hfg s LYS 209 CO -0.07 -0.20 1.24 0.15 0.16 0.00 0.00 175.35 176.63 2hfg s LYS 210 N 1.33 4.46 -0.29 4.03 3.01 -1.26 -1.57 119.74 129.46 2hfg s LYS 210 Ca 0.05 2.01 0.02 0.00 -1.01 0.00 0.00 55.97 57.04 2hfg s LYS 210 Cb -0.13 -3.16 0.08 0.00 -1.01 0.00 0.00 37.83 33.61 2hfg s LYS 210 CO -0.10 -0.08 -0.01 0.08 0.51 0.00 0.00 175.35 175.76 2hfg s VAL 211 N -0.65 1.87 0.16 3.17 1.01 -0.22 -4.86 120.40 120.89 2hfg s VAL 211 Ca 0.50 -1.77 0.10 0.00 0.00 0.00 0.00 61.98 60.81 2hfg s VAL 211 Cb -0.36 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2hfg s VAL 211 CO 0.43 -0.36 -0.22 -1.61 0.00 0.00 0.00 175.10 173.35 2hfg s GLU 212 N 1.17 1.61 0.35 2.72 2.02 -1.26 -4.35 118.70 120.96 2hfg s GLU 212 Ca 0.02 -1.37 -0.27 0.00 0.02 0.00 0.00 54.97 53.37 2hfg s GLU 212 Cb -0.19 -1.96 -0.12 0.00 0.10 0.00 0.00 34.13 31.96 2hfg s GLU 212 CO -0.09 0.44 1.10 -2.30 0.02 0.00 0.00 175.26 174.43 2hfg n PRO 213 N 0.53 1.61 0.00 0.39 -0.02 -1.26 -4.66 135.00 131.59 2hfg n PRO 213 Ca -0.14 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 2hfg n PRO 213 Cb 0.54 -2.08 0.35 0.00 -0.02 0.00 0.00 33.50 32.29 2hfg n PRO 213 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11